oxolan-2-ylmethyl 4-aminobenzoate

C12H15NO3 — CID 21240891

IUPACoxolan-2-ylmethyl 4-aminobenzoate
SMILESNc1ccc(C(=O)OCC2CCCO2)cc1
InChIInChI=1S/C12H15NO3/c13-10-5-3-9(4-6-10)12(14)16-8-11-2-1-7-15-11/h3-6,11H,1-2,7-8,13H2
InChIKeyIMAIZZIULFYOSN-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.60
Rot. Bonds3

About oxolan-2-ylmethyl 4-aminobenzoate

oxolan-2-ylmethyl 4-aminobenzoate (PubChem CID 21240891) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is oxolan-2-ylmethyl 4-aminobenzoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 4-aminobenzoate
PubChem CID21240891
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameoxolan-2-ylmethyl 4-aminobenzoate
SMILESNc1ccc(C(=O)OCC2CCCO2)cc1
InChIInChI=1S/C12H15NO3/c13-10-5-3-9(4-6-10)12(14)16-8-11-2-1-7-15-11/h3-6,11H,1-2,7-8,13H2
InChIKeyIMAIZZIULFYOSN-UHFFFAOYSA-N
XLogP1.60
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
[(2R)-oxolan-2-yl]methyl 4-nitrobenzoate
CID 36688887
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
[(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 2375035
1-(4-aminophenyl)-2-(oxolan-2-yl)ethanone
CID 65159707
oxan-2-ylmethyl 3-amino-4-methylbenzoate
CID 60730857
[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate
CID 17201510
oxolan-2-ylmethyl 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 61309256
oxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate
CID 61308131
oxan-2-ylmethyl 3-amino-4-fluorobenzoate
CID 61279862
oxolan-2-ylmethyl 4-amino-3-nitrobenzoate
CID 42915193
[2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 29182803

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 4-aminobenzoate?
The IUPAC name of oxolan-2-ylmethyl 4-aminobenzoate (CID 21240891) is oxolan-2-ylmethyl 4-aminobenzoate.
What is the SMILES notation for oxolan-2-ylmethyl 4-aminobenzoate?
The canonical SMILES for oxolan-2-ylmethyl 4-aminobenzoate is Nc1ccc(C(=O)OCC2CCCO2)cc1.
What is the InChIKey of oxolan-2-ylmethyl 4-aminobenzoate?
The InChIKey is IMAIZZIULFYOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c13-10-5-3-9(4-6-10)12(14)16-8-11-2-1-7-15-11/h3-6,11H,1-2,7-8,13H2.
What are the key properties of oxolan-2-ylmethyl 4-aminobenzoate?
oxolan-2-ylmethyl 4-aminobenzoate has a molecular weight of 221.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 4-aminobenzoate is sourced from PubChem (CID 21240891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).